2-[5-(3-aminophenyl)-2-oxidanylidene-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[5-(3-aminophenyl)-2-oxidanylidene-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[5-(3-aminophenyl)-2-oxo-3-(8-quinolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(3-aminophenyl)-2-oxo-3-(8-quinolinylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-(3-aminophenyl)-2-oxo-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[5-(3-aminophenyl)-2-keto-3-(8-quinolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C26H21N5O5S MolecularWeight: 515.54044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(C(=O)N2CC(=O)O)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CC(=CC=C5)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(C(=O)N2CC(=O)O)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CC(=CC=C5)N

InChI

InChI=1S/C26H21N5O5S/c27-18-9-3-7-17(14-18)23-19-10-1-2-11-20(19)31(15-22(32)33)26(34)25(29-23)30-37(35,36)21-12-4-6-16-8-5-13-28-24(16)21/h1-14,25,30H,15,27H2,(H,32,33)